![2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,7,9(1)-triene](/cid/56-647-2/2-2-6-7-tetramethylbicyclo-4-3-0-nona-4-7-9-1-triene.png "2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,7,9(1)-triene")
- InChI
- InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3
- InChI Key
- XOFDOXJFXCEFDE-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- CC1=CC=C2C(C)(C)CC=CC12C
- Molecular Weight1
- 174.28
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2398 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 94.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | [1150.00; 1200.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | 1150.00 | NIST | |
| I | 1461.00 | NIST | |
| Tboil | 477.42 | K | Relay (1.0) Calculated Property |
| Tc | 693.29 | K | Relay (1.0) Calculated Property |
| Tfus | 265.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.562 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.67; 474.13] | J/mol×K | [531.05; 762.04] |
|
| Cp,gas | 379.67 | J/mol×K | 531.05 | Joback Calculated Property |
| Cp,gas | 398.13 | J/mol×K | 569.55 | Joback Calculated Property |
| Cp,gas | 415.13 | J/mol×K | 608.05 | Joback Calculated Property |
| Cp,gas | 430.96 | J/mol×K | 646.54 | Joback Calculated Property |
| Cp,gas | 445.88 | J/mol×K | 685.04 | Joback Calculated Property |
| Cp,gas | 460.18 | J/mol×K | 723.54 | Joback Calculated Property |
| Cp,gas | 474.13 | J/mol×K | 762.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,7,9(1)-triene.
Sources
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